CID 110015

Benzene, pentabromo(2-(tetrabromochlorophenoxy)ethoxy)-

Structural Information

Molecular Formula
C14H4Br9ClO2
SMILES
C(COC1=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Cl
InChI
InChI=1S/C14H4Br9ClO2/c15-3-5(17)9(21)13(10(22)6(3)18)25-1-2-26-14-11(23)7(19)4(16)8(20)12(14)24/h1-2H2
InChIKey
IZPUDUNKMAMNJZ-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentabromo-6-[2-(2,3,4,5-tetrabromo-6-chlorophenoxy)ethoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

949.255 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 950.26228 158.7
[M+Na]+ 972.24422 166.7
[M-H]- 948.24772 161.5
[M+NH4]+ 967.28882 161.5
[M+K]+ 988.21816 160.5
[M+H-H2O]+ 932.25226 162.2
[M+HCOO]- 994.25320 160.4
[M+CH3COO]- 1008.2689 254.2
[M+Na-2H]- 970.22967 157.0
[M]+ 949.25445 162.7
[M]- 949.25555 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.